7-Hydroxy-1,4-benzodioxan-6-carboxylic acid

C₉H₈O₅CAS 197584-99-9196.16 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Phenol

Properties

Molecular formula: C₉H₈O₅
Molar mass: 196.16 g/mol
Exact mass: 196.0372 Da
logP: 0.86Crippen estimate
Polar surface area: 76.0 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

197584-99-9

SMILES

C1COC2=C(O1)C=C(C(=C2)O)C(=O)O

InChIKey

IKCKXQPXYWBQSB-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O5/c10-6-4-8-7(13-1-2-14-8)3-5(6)9(11)12/h3-4,10H,1-2H2,(H,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 7-Hydroxy-1,4-benzodioxan-6-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Hydroxy-4,5-dimethoxybenzoic acid5722-93-065 % similar 2,5-Dihydroxyterephthalic acid610-92-462 % similar 5-Bromo-2,4-dihydroxybenzoic acid7355-22-854 % similar 2,3-Dihydro-1,4-benzodioxin-6-carboxylic acid4442-54-053 % similar 1,4-Benzodioxan-5-carboxylic acid4442-53-950 % similar 3-Hydroxy-2-naphthoic acid92-70-650 % similar 5,5'-Methylenedisalicylic acid122-25-849 % similar 4-Bromo-2-hydroxybenzoic acid1666-28-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methoxyphthalic acid1885-13-8 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-1 3′,4′-Methylenedioxymandelic acid27738-46-1 5-Methoxyisophthalic acid46331-50-4 2-(Carboxymethoxy)benzoic acid635-53-0

Elsewhere

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